1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C153H188Cl2N12O9S — CID 159712708

About 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 159712708) has the molecular formula C153H188Cl2N12O9S and a molecular weight of 2442.23 g/mol. Its IUPAC name is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 159712708
• Molecular Formula: C153H188Cl2N12O9S
• Molecular Weight: 2442.23 g/mol
• Exact Mass: 2439.37
• IUPAC Name: 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.O=C1CCCc2c1c1ccccc1n2CCCN1C2CCC1CC(CCc1ccccc1)C2
• InChI: InChI=1S/C30H36N2O.C28H34N2O.C26H29ClN2O2.C24H27ClN2OS.C24H32N2O2.C21H30N2O2/c33-29-13-6-12-28-30(29)26-10-4-5-11-27(26)32(28)19-7-18-31-24-16-17-25(31)21-23(20-24)15-14-22-8-2-1-3-9-22;1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-18(30)25-17-28(26-6-3-2-5-24(25)26)13-4-14-29-20-9-10-21(29)16-23(15-20)31-22-11-7-19(27)8-12-22;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23/h1-5,8-11,23-25H,6-7,12-21H2;2-6,8-11,20,23-25H,7,12-19H2,1H3;2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;2-3,5-10,17,21H,4,11-16H2,1H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3;4-5,7-8,16,18H,3,6,9-15H2,1-2H3
• InChIKey: MZAUZIRNYKSWDM-UHFFFAOYSA-N
• XLogP: 33.42
• TPSA: 179.13 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 45
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.23
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 159712708) is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.O=C1CCCc2c1c1ccccc1n2CCCN1C2CCC1CC(CCc1ccccc1)C2.

What is the InChIKey of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is MZAUZIRNYKSWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O.C28H34N2O.C26H29ClN2O2.C24H27ClN2OS.C24H32N2O2.C21H30N2O2/c33-29-13-6-12-28-30(29)26-10-4-5-11-27(26)32(28)19-7-18-31-24-16-17-25(31)21-23(20-24)15-14-22-8-2-1-3-9-22;1-21(31)27-20-29(28-11-6-5-10-26(27)28)16-7-17-30-24-14-15-25(30)19-23(18-24)13-12-22-8-3-2-4-9-22;1-18(30)25-17-28(26-6-3-2-5-24(25)26)13-4-14-29-20-9-10-21(29)16-23(15-20)31-22-11-7-19(27)8-12-22;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23/h1-5,8-11,23-25H,6-7,12-21H2;2-6,8-11,20,23-25H,7,12-19H2,1H3;2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;2-3,5-10,17,21H,4,11-16H2,1H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3;4-5,7-8,16,18H,3,6,9-15H2,1-2H3.

What are the key properties of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2442.23 g/mol, XLogP of 33.42, 45 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159712708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).